#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jww s THR 2 N 0.00 5.00 0.05 1.55 -4.23 -1.26 -4.71 115.64 112.04 1jww s THR 2 Ca 0.00 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1jww s THR 2 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1jww s THR 2 CO 0.00 -0.64 -0.20 -1.61 -0.54 0.00 0.00 174.62 171.63 1jww s GLU 3 N -4.46 1.31 -0.17 3.99 2.02 0.68 -4.85 118.70 117.23 1jww s GLU 3 Ca 0.43 -0.93 -0.23 0.00 0.02 0.00 0.00 54.97 54.25 1jww s GLU 3 Cb -0.10 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 1jww s GLU 3 CO 0.39 0.36 0.71 0.15 0.02 0.00 0.00 175.26 176.89 1jww s LYS 4 N -1.22 4.27 0.02 1.61 -0.14 -1.26 -0.48 119.74 122.54 1jww s LYS 4 Ca 0.07 0.79 0.07 0.00 -1.36 0.00 0.00 55.97 55.53 1jww s LYS 4 Cb -0.09 -3.56 -0.02 0.00 -1.68 0.00 0.00 37.83 32.48 1jww s LYS 4 CO 0.02 -0.23 -0.20 0.00 -0.76 0.00 0.00 175.35 174.19 1jww s ALA 5 N 1.84 1.64 0.08 5.17 0.00 0.41 -4.25 121.76 126.64 1jww s ALA 5 Ca 0.33 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1jww s ALA 5 Cb -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1jww s ALA 5 CO 0.12 0.38 -0.25 -1.21 0.00 0.00 0.00 175.76 174.80 1jww s GLU 6 N -0.90 1.54 -0.00 0.00 2.02 -1.19 -0.98 118.70 119.18 1jww s GLU 6 Ca 0.07 -1.16 0.03 0.00 0.02 0.00 0.00 54.97 53.92 1jww s GLU 6 Cb -0.08 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 1jww s GLU 6 CO 0.01 0.45 -0.09 -0.06 0.02 0.00 0.00 175.26 175.59 1jww s PHE 7 N -0.92 0.77 -0.03 1.61 0.40 -0.02 -0.27 117.98 119.53 1jww s PHE 7 Ca 0.11 -0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.20 1jww s PHE 7 Cb -0.10 -0.50 -0.05 0.00 0.51 0.00 0.00 43.02 42.89 1jww s PHE 7 CO 0.03 -0.01 0.27 0.34 0.70 0.00 0.00 175.22 176.55 1jww s ASP 8 N -0.24 6.56 0.05 1.36 -1.08 0.11 -1.93 116.67 121.50 1jww s ASP 8 Ca 0.03 0.66 0.04 0.00 -0.52 0.00 0.00 52.55 52.76 1jww s ASP 8 Cb -0.03 -2.13 -0.02 0.00 -1.46 0.00 0.00 42.92 39.27 1jww s ASP 8 CO -0.00 0.32 -0.12 -0.63 0.52 0.00 0.00 175.17 175.26 1jww s ILE 9 N -1.15 0.90 -0.41 4.11 1.09 -1.20 -1.68 121.20 122.86 1jww s ILE 9 Ca 0.23 -1.11 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 1jww s ILE 9 Cb -0.14 -0.88 0.14 0.00 -1.06 0.00 0.00 42.46 40.52 1jww s ILE 9 CO 0.11 -0.20 0.23 -1.61 -0.10 0.00 0.00 174.94 173.37 1jww s GLU 10 N -1.47 1.01 0.00 2.79 0.41 -1.18 -4.92 118.70 115.34 1jww s GLU 10 Ca -0.03 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 1jww s GLU 10 Cb -0.09 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 1jww s GLU 10 CO 0.01 -1.18 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 1jww n GLY 11 N 3.74 -0.15 3.57 -1.39 0.00 -1.26 -3.71 105.19 105.97 1jww n GLY 11 Ca 0.10 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1jww n GLY 11 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jww s MET 12 N 0.00 3.06 -0.42 1.61 0.23 -1.26 -4.84 119.30 117.68 1jww s MET 12 Ca 0.00 0.55 0.10 0.00 -1.03 0.00 0.00 55.69 55.31 1jww s MET 12 Cb 0.00 -4.23 0.34 0.00 -1.53 0.00 0.00 34.83 29.41 1jww s MET 12 CO 0.00 -2.22 0.76 -2.37 -2.03 0.00 0.00 175.02 169.15 1jww n THR 13 N 6.99 0.55 0.00 3.16 5.66 -1.26 -4.71 114.28 124.68 1jww n THR 13 Ca 0.15 -4.77 0.00 0.00 -3.05 0.00 0.00 64.05 56.38 1jww n THR 13 Cb 0.50 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jww n ALA 15 N -2.94 0.00 -0.02 0.00 0.00 -1.26 -4.60 120.51 111.68 1jww n ALA 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1jww n ALA 15 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1jww n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jww h ALA 16 N 0.00 -0.04 0.18 0.00 0.00 -1.98 0.29 119.26 117.71 1jww h ALA 16 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jww h ALA 16 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jww h ALA 16 CO 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 179.25 178.95 1jww h ALA 18 N 0.49 0.33 -0.66 0.00 0.00 -1.84 0.55 119.26 118.13 1jww h ALA 18 Ca -0.01 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1jww h ALA 18 Cb 0.28 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1jww h ALA 18 CO -0.00 -0.50 0.44 -0.91 0.00 0.00 0.00 179.25 178.28 1jww h ASN 19 N -0.05 0.51 -0.92 0.00 2.35 0.28 0.08 115.58 117.83 1jww h ASN 19 Ca 0.33 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1jww h ASN 19 Cb 0.55 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 1jww h ASN 19 CO -0.76 0.32 0.61 -0.09 -1.65 0.00 0.00 177.43 175.85 1jww h ARG 20 N 0.57 1.20 -0.34 0.81 9.65 0.26 -2.80 114.38 123.73 1jww h ARG 20 Ca 0.30 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.17 1jww h ARG 20 Cb 0.41 -0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 1jww h ARG 20 CO -0.09 0.79 -0.03 0.82 2.80 0.00 0.00 179.97 184.26 1jww h ILE 21 N 1.24 0.72 -0.52 1.20 1.08 -0.62 0.54 117.51 121.15 1jww h ILE 21 Ca 0.34 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.87 1jww h ILE 21 Cb -0.12 0.65 -0.10 0.00 -3.07 0.00 0.00 36.82 34.18 1jww h ILE 21 CO -0.08 0.01 -0.42 -0.33 -0.69 0.00 0.00 178.15 176.64 1jww h GLU 22 N 0.06 -0.25 -0.33 2.37 5.08 -1.38 0.33 114.58 120.45 1jww h GLU 22 Ca 0.16 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1jww h GLU 22 Cb 0.23 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1jww h GLU 22 CO -0.30 -0.16 -0.00 0.87 -1.00 0.00 0.00 179.01 178.41 1jww h LYS 23 N -0.26 0.59 -0.36 2.33 1.57 -1.49 0.33 116.57 119.28 1jww h LYS 23 Ca 0.17 -0.19 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1jww h LYS 23 Cb 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1jww h LYS 23 CO -0.65 0.72 0.26 -0.09 -0.57 0.00 0.00 179.45 179.12 1jww h ARG 24 N 0.39 0.08 0.17 3.15 9.65 0.27 -0.31 114.38 127.78 1jww h ARG 24 Ca 0.09 -0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.64 1jww h ARG 24 Cb 0.46 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1jww h ARG 24 CO 0.02 0.06 -1.62 -0.07 2.80 0.00 0.00 179.97 181.15 1jww h LEU 25 N 0.09 0.57 -2.25 3.80 3.38 -0.08 -3.33 115.31 117.49 1jww h LEU 25 Ca 0.17 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1jww h LEU 25 Cb 0.57 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jww h LEU 25 CO -0.02 1.65 -0.02 -1.13 0.09 0.00 0.00 178.44 179.01 1jww h ASN 26 N 0.10 0.00 -0.97 -0.43 -0.73 0.82 0.79 115.58 115.15 1jww h ASN 26 Ca -0.29 0.00 0.23 0.00 1.87 0.00 0.00 56.30 58.11 1jww h ASN 26 Cb 2.08 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 40.59 1jww h ASN 26 CO 0.19 0.02 0.63 0.11 -0.37 0.00 0.00 177.43 178.02 1jww h LYS 27 N 0.00 0.42 -6.53 6.67 1.79 -1.22 -3.42 116.57 114.28 1jww h LYS 27 Ca -0.00 -0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.92 1jww h LYS 27 Cb 0.05 -0.09 0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1jww h LYS 27 CO 0.00 0.28 1.01 0.42 -1.08 0.00 0.00 179.45 180.07 1jww s ILE 28 N -5.48 2.67 0.09 1.86 -1.09 0.27 -4.93 121.20 114.58 1jww s ILE 28 Ca -0.09 0.29 -0.33 0.00 -2.23 0.00 0.00 60.65 58.30 1jww s ILE 28 Cb 0.24 -3.19 -0.15 0.00 -1.58 0.00 0.00 42.46 37.79 1jww s ILE 28 CO 0.79 0.01 1.60 -0.33 -1.23 0.00 0.00 174.94 175.78 1jww h GLU 29 N 7.85 -0.80 -1.92 2.79 4.39 -1.88 -3.16 114.58 121.85 1jww h GLU 29 Ca -0.44 0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.16 1jww h GLU 29 Cb 1.21 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.98 1jww h GLU 29 CO 0.93 -0.54 -0.01 0.41 -1.16 0.00 0.00 179.01 178.65 1jww n GLY 30 N -1.50 3.09 3.71 -3.84 0.00 -1.26 -4.84 105.19 100.54 1jww n GLY 30 Ca -0.11 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1jww n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jww s VAL 31 N -0.29 4.13 -0.10 1.61 0.11 -1.20 -0.20 120.40 124.46 1jww s VAL 31 Ca 0.30 -0.94 -0.11 0.00 -2.93 0.00 0.00 61.98 58.30 1jww s VAL 31 Cb 0.17 -2.97 -0.05 0.00 -1.53 0.00 0.00 36.38 32.00 1jww s VAL 31 CO -0.02 0.12 -0.23 0.00 -3.33 0.00 0.00 175.10 171.64 1jww n ALA 32 N 0.53 1.64 -3.07 1.54 0.00 0.39 -4.94 120.51 116.61 1jww n ALA 32 Ca -0.10 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1jww n ALA 32 Cb 0.52 0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 1jww n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jww s ASN 33 N -6.04 -0.16 -0.43 0.00 0.01 -1.10 -5.01 114.94 102.20 1jww s ASN 33 Ca -0.20 0.29 0.10 0.00 -0.71 0.00 0.00 52.86 52.34 1jww s ASN 33 Cb 0.04 0.35 0.35 0.00 0.41 0.00 0.00 41.25 42.39 1jww s ASN 33 CO 0.29 -0.10 0.80 0.00 -1.51 0.00 0.00 177.10 176.58 1jww n ALA 34 N 2.78 2.86 -2.43 0.60 0.00 -1.26 -0.21 120.51 122.85 1jww n ALA 34 Ca -0.14 -3.80 -0.38 0.00 0.00 0.00 0.00 53.44 49.12 1jww n ALA 34 Cb 0.58 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 1jww n ALA 34 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jww s PRO 35 N -2.77 3.49 0.56 0.00 0.04 -1.18 -4.52 135.00 130.61 1jww s PRO 35 Ca 0.43 -1.56 -0.18 0.00 0.04 0.00 0.00 61.00 59.72 1jww s PRO 35 Cb 0.33 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 29.41 1jww s PRO 35 CO -0.10 -2.72 1.10 0.14 0.04 0.00 0.00 177.00 175.46 1jww s VAL 36 N 6.28 3.40 0.17 -0.36 -7.23 -1.26 -4.14 120.40 117.27 1jww s VAL 36 Ca 0.57 0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 61.34 1jww s VAL 36 Cb 0.02 -3.31 -0.08 0.00 0.56 0.00 0.00 36.38 33.57 1jww s VAL 36 CO 0.06 -0.25 0.69 0.20 -0.31 0.00 0.00 175.10 175.49 1jww s ASN 37 N -2.08 7.12 -0.48 4.85 0.01 -0.29 -4.92 114.94 119.16 1jww s ASN 37 Ca 0.69 1.42 0.05 0.00 -0.71 0.00 0.00 52.86 54.32 1jww s ASN 37 Cb -0.21 -2.42 0.40 0.00 0.41 0.00 0.00 41.25 39.43 1jww s ASN 37 CO 0.29 0.13 1.05 2.22 -1.51 0.00 0.00 177.10 179.28 1jww n PHE 38 N 1.13 3.49 0.00 2.20 -1.74 -1.26 -4.35 117.46 116.93 1jww n PHE 38 Ca -0.05 -3.37 0.00 0.00 -0.56 0.00 0.00 57.45 53.47 1jww n PHE 38 Cb 0.50 -0.21 0.00 0.00 1.52 0.00 0.00 39.48 41.29 1jww n PHE 38 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1jww n ALA 39 N -0.39 0.00 0.20 1.98 0.00 -1.26 -4.72 120.51 116.31 1jww n ALA 39 Ca 0.36 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1jww n ALA 39 Cb 0.59 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.18 1jww n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jww h LEU 40 N 0.00 0.00 -1.65 0.00 3.38 -1.98 -3.48 115.31 111.58 1jww h LEU 40 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1jww h LEU 40 Cb 0.00 0.00 0.15 0.00 0.09 0.00 0.00 40.66 40.90 1jww h LEU 40 CO 0.00 0.10 -0.78 -0.62 0.09 0.00 0.00 178.44 177.23 1jww n GLU 41 N -3.12 -6.39 -3.77 1.13 1.02 -1.26 -5.03 120.64 103.22 1jww n GLU 41 Ca 0.04 0.81 -0.25 0.00 -0.02 0.00 0.00 57.16 57.74 1jww n GLU 41 Cb 0.57 -5.76 -0.17 0.00 -0.02 0.00 0.00 31.44 26.06 1jww n GLU 41 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jww s THR 42 N -3.41 0.47 -0.03 2.62 -4.23 -1.26 -3.26 115.64 106.55 1jww s THR 42 Ca 0.02 -0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.19 1jww s THR 42 Cb -0.01 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1jww s THR 42 CO 0.74 0.14 0.75 -0.69 -0.54 0.00 0.00 174.62 175.03 1jww s VAL 43 N 1.92 4.94 -0.19 2.29 1.01 -0.81 -1.14 120.40 128.42 1jww s VAL 43 Ca 0.03 1.56 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1jww s VAL 43 Cb -0.14 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1jww s VAL 43 CO -0.06 0.27 -0.04 -0.89 0.00 0.00 0.00 175.10 174.38 1jww s THR 44 N 0.57 3.57 0.07 3.92 2.01 -1.26 -0.84 115.64 123.69 1jww s THR 44 Ca 0.39 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 62.04 1jww s THR 44 Cb -0.19 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 1jww s THR 44 CO 0.21 0.44 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.65 1jww s VAL 45 N 1.06 1.98 -0.28 3.82 1.01 -0.16 -3.10 120.40 124.73 1jww s VAL 45 Ca 0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1jww s VAL 45 Cb -0.15 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1jww s VAL 45 CO 0.00 0.22 0.01 -0.70 0.00 0.00 0.00 175.10 174.63 1jww s GLU 46 N -1.46 2.80 0.05 2.72 2.12 0.71 -0.45 118.70 125.18 1jww s GLU 46 Ca 0.10 -1.03 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 1jww s GLU 46 Cb -0.10 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 1jww s GLU 46 CO 0.03 -0.49 0.04 1.52 -0.54 0.00 0.00 175.26 175.82 1jww s TYR 47 N 1.37 0.33 -0.18 5.30 -0.85 0.37 -0.46 117.35 123.23 1jww s TYR 47 Ca -0.01 -0.74 -0.17 0.00 -0.52 0.00 0.00 57.07 55.63 1jww s TYR 47 Cb -0.18 -0.24 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 1jww s TYR 47 CO -0.01 -0.37 0.44 0.54 -1.52 0.00 0.00 175.55 174.63 1jww s ASN 48 N -2.43 6.51 -1.16 -0.18 2.20 0.72 -0.23 114.94 120.37 1jww s ASN 48 Ca -0.01 0.60 -0.11 0.00 -0.94 0.00 0.00 52.86 52.41 1jww s ASN 48 Cb 0.02 -2.25 -0.07 0.00 -2.00 0.00 0.00 41.25 36.95 1jww s ASN 48 CO -0.07 -0.08 2.32 -0.81 -2.94 0.00 0.00 177.10 175.52 1jww n PRO 49 N 4.37 2.51 0.09 3.55 -0.04 -1.26 -2.51 135.00 141.71 1jww n PRO 49 Ca -0.07 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1jww n PRO 49 Cb 0.51 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1jww n PRO 49 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jww n LYS 50 N 4.86 0.00 -0.12 0.54 4.81 -1.26 -4.95 118.16 122.03 1jww n LYS 50 Ca 0.56 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.74 1jww n LYS 50 Cb 0.25 -0.12 -0.09 0.00 0.02 0.00 0.00 35.03 35.09 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1jww n GLU 51 N -3.24 0.54 -2.83 1.64 0.00 -1.21 -4.98 120.64 110.57 1jww n GLU 51 Ca 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 57.16 57.00 1jww n GLU 51 Cb 0.03 -1.42 -0.05 0.00 0.00 0.00 0.00 31.44 30.01 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jww s ALA 52 N -2.52 3.34 0.03 4.31 0.00 -1.05 -4.71 121.76 121.17 1jww s ALA 52 Ca -0.35 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1jww s ALA 52 Cb 0.13 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1jww s ALA 52 CO 0.45 0.14 -0.12 -1.54 0.00 0.00 0.00 175.76 174.69 1jww s SER 53 N -0.68 1.45 0.22 0.00 1.04 -1.26 -4.21 113.70 110.26 1jww s SER 53 Ca 0.41 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1jww s SER 53 Cb -0.24 -0.09 0.34 0.00 0.10 0.00 0.00 66.02 66.13 1jww s SER 53 CO 0.29 0.01 1.65 0.58 0.98 0.00 0.00 173.24 176.75 1jww h VAL 54 N 4.56 0.44 -0.70 5.02 2.07 -1.98 -1.42 116.25 124.24 1jww h VAL 54 Ca -0.37 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1jww h VAL 54 Cb 1.18 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1jww h VAL 54 CO 0.44 0.02 0.38 0.77 0.02 0.00 0.00 177.57 179.20 1jww h SER 55 N 0.11 0.55 0.45 0.57 4.64 -1.97 0.57 113.55 118.46 1jww h SER 55 Ca 0.35 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 1jww h SER 55 Cb 0.58 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1jww h SER 55 CO -0.58 0.34 -0.22 -0.78 -0.87 0.00 0.00 176.83 174.73 1jww h ASP 56 N 0.68 -0.51 -0.55 4.97 1.82 -1.70 0.21 116.42 121.35 1jww h ASP 56 Ca 0.33 -0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.81 1jww h ASP 56 Cb 0.25 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 1jww h ASP 56 CO -0.21 -0.19 0.06 0.17 -1.61 0.00 0.00 179.24 177.46 1jww h LEU 57 N -0.85 0.90 -0.83 2.28 8.10 -1.33 0.34 115.31 123.91 1jww h LEU 57 Ca -0.06 -0.28 0.19 0.00 0.11 0.00 0.00 57.88 57.84 1jww h LEU 57 Cb 0.57 -0.24 -0.15 0.00 -0.44 0.00 0.00 40.66 40.39 1jww h LEU 57 CO 0.10 0.95 -0.09 0.50 -4.11 0.00 0.00 178.44 175.79 1jww h LYS 58 N 0.82 0.04 -0.73 0.17 3.11 -0.91 -1.16 116.57 117.91 1jww h LYS 58 Ca 0.16 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.05 1jww h LYS 58 Cb 0.46 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.63 1jww h LYS 58 CO 0.02 0.02 0.44 1.49 -2.81 0.00 0.00 179.45 178.61 1jww h GLU 59 N 0.04 0.80 -0.18 1.90 4.81 0.18 0.19 114.58 122.31 1jww h GLU 59 Ca 0.44 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 1jww h GLU 59 Cb 0.75 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1jww h GLU 59 CO -0.80 0.53 -0.41 0.00 -0.73 0.00 0.00 179.01 177.60 1jww h ALA 60 N 1.34 -0.54 -0.06 2.92 0.00 0.04 0.30 119.26 123.26 1jww h ALA 60 Ca 0.31 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1jww h ALA 60 Cb 0.11 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1jww h ALA 60 CO -0.15 -0.90 -0.03 0.28 0.00 0.00 0.00 179.25 178.45 1jww h VAL 61 N -0.45 0.91 -0.61 0.00 2.07 -0.98 -0.32 116.25 116.86 1jww h VAL 61 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1jww h VAL 61 Cb 0.61 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1jww h VAL 61 CO -0.42 0.00 0.41 -0.78 0.02 0.00 0.00 177.57 176.79 1jww h ASP 62 N -0.02 0.65 0.06 0.57 3.58 0.03 -0.76 116.42 120.52 1jww h ASP 62 Ca 0.03 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.29 1jww h ASP 62 Cb 0.07 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 40.99 1jww h ASP 62 CO -0.08 0.45 -0.75 0.50 -2.88 0.00 0.00 179.24 176.49 1jww h LYS 63 N 0.76 0.40 -0.99 0.28 1.63 -0.34 -3.16 116.57 115.15 1jww h LYS 63 Ca 0.24 -0.51 0.20 0.00 -0.85 0.00 0.00 60.65 59.72 1jww h LYS 63 Cb 0.03 0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 31.72 1jww h LYS 63 CO -0.06 1.18 0.61 -0.07 -3.45 0.00 0.00 179.45 177.67 1jww h LEU 64 N -0.14 0.71 0.00 5.20 3.38 -0.31 -3.46 115.31 120.69 1jww h LEU 64 Ca -0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jww h LEU 64 Cb 1.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1jww h LEU 64 CO 0.14 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1jww n GLY 65 N -1.37 0.21 0.00 0.83 0.00 -0.36 -5.10 105.19 99.40 1jww n GLY 65 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1jww n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jww n TYR 66 N 0.00 -0.13 -3.99 1.61 4.01 -1.07 -5.01 117.16 112.57 1jww n TYR 66 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1jww n TYR 66 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 1jww n TYR 66 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1jww s LYS 67 N 2.70 0.34 0.05 -0.72 2.20 -1.24 -4.11 119.74 118.96 1jww s LYS 67 Ca 0.00 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 55.04 1jww s LYS 67 Cb 0.00 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1jww s LYS 67 CO 0.00 -0.02 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.72 1jww s LEU 68 N -1.36 2.28 0.02 5.43 2.96 -1.26 -3.08 118.68 123.67 1jww s LEU 68 Ca -0.13 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.04 1jww s LEU 68 Cb -0.09 -0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.44 1jww s LEU 68 CO -0.01 -0.22 0.31 -0.75 -1.32 0.00 0.00 176.35 174.36 1jww s LYS 69 N -1.78 0.75 0.80 1.98 2.47 -0.68 -4.95 119.74 118.33 1jww s LYS 69 Ca -0.08 -0.38 -0.12 0.00 -1.56 0.00 0.00 55.97 53.83 1jww s LYS 69 Cb -0.09 0.33 0.08 0.00 -1.46 0.00 0.00 37.83 36.69 1jww s LYS 69 CO 0.00 -0.23 1.15 -1.17 0.16 0.00 0.00 175.35 175.27 1jww s LEU 70 N -1.76 3.10 0.02 5.43 2.96 -1.26 0.09 118.68 127.25 1jww s LEU 70 Ca -0.08 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1jww s LEU 70 Cb -0.03 -4.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.09 1jww s LEU 70 CO -0.00 -2.46 -0.05 1.17 -1.32 0.00 0.00 176.35 173.69 1jww n LYS 71 N -3.39 0.08 0.00 1.98 4.81 0.63 -4.57 118.16 117.70 1jww n LYS 71 Ca 0.12 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1jww n LYS 71 Cb 0.52 -0.64 0.00 0.00 0.02 0.00 0.00 35.03 34.92 1jww n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jww n GLY 72 N 3.02 -2.35 3.61 3.14 0.00 -1.09 -5.02 105.19 106.52 1jww n GLY 72 Ca -0.04 0.82 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 1jww n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jww s GLU 73 N 0.00 0.84 -0.11 1.61 -1.05 -1.26 -3.15 118.70 115.58 1jww s GLU 73 Ca 0.00 -0.40 -0.29 0.00 -0.15 0.00 0.00 54.97 54.13 1jww s GLU 73 Cb 0.00 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 1jww s GLU 73 CO 0.00 -0.38 1.86 -1.14 0.95 0.00 0.00 175.26 176.55 1jww s GLN 74 N -3.02 3.84 -0.92 -4.83 -0.44 -1.26 -4.52 119.66 108.51 1jww s GLN 74 Ca 0.09 2.14 -0.20 0.00 -2.50 0.00 0.00 55.36 54.88 1jww s GLN 74 Cb -0.00 -4.14 -0.12 0.00 -1.64 0.00 0.00 33.01 27.11 1jww s GLN 74 CO -0.04 -1.27 1.98 -3.47 0.50 0.00 0.00 175.29 172.99 1jww n ASP 75 N 8.59 2.81 -4.31 6.67 2.03 -1.26 -4.86 116.55 126.22 1jww n ASP 75 Ca 0.21 -2.71 -0.39 0.00 0.52 0.00 0.00 54.79 52.42 1jww n ASP 75 Cb 0.43 -1.24 -0.11 0.00 -0.72 0.00 0.00 41.12 39.48 1jww n ASP 75 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1jww s SER 76 N 4.69 5.55 0.23 1.67 0.01 -1.26 -4.96 113.70 119.63 1jww s SER 76 Ca 0.56 -1.17 0.12 0.00 1.31 0.00 0.00 55.95 56.76 1jww s SER 76 Cb 0.14 -1.95 0.08 0.00 0.21 0.00 0.00 66.02 64.50 1jww s SER 76 CO 0.08 -0.40 1.44 0.40 0.41 0.00 0.00 173.24 175.17 1jww h ILE 77 N 6.04 1.25 -3.89 1.44 5.03 -2.05 -3.44 117.51 121.89 1jww h ILE 77 Ca -0.24 -2.57 -0.49 0.00 -0.12 0.00 0.00 64.86 61.45 1jww h ILE 77 Cb 1.09 2.48 0.01 0.00 -3.03 0.00 0.00 36.82 37.37 1jww h ILE 77 CO 0.66 0.67 0.41 -0.70 -0.68 0.00 0.00 178.15 178.51 1jww s GLU 78 N -3.03 4.44 0.23 2.37 2.56 -1.26 -5.08 118.70 118.94 1jww s GLU 78 Ca 0.02 1.54 0.02 0.00 0.00 0.00 0.00 54.97 56.55 1jww s GLU 78 Cb 0.09 -2.82 -0.05 0.00 2.00 0.00 0.00 34.13 33.35 1jww s GLU 78 CO 0.77 0.10 0.05 0.20 -0.56 0.00 0.00 175.26 175.81 1jww s GLY 79 N -1.37 1.58 0.00 -1.50 0.00 -1.26 -5.19 107.32 99.58 1jww s GLY 79 Ca 0.51 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1jww s GLY 79 CO 0.30 -1.61 0.00 0.54 0.00 0.00 0.00 173.10 172.34